4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases

Autores
Montani, R.S.; Garay, R.O.; Cukiernik, F.D.; Garland, M.T.; Baggio, R.
Año de publicación
2009
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The crystal structure of the dimeric title compound, C19H 22O5H, is dominated by a head-to-head hydrogen-bonding inter-action between centrosymmetrically related carboxyl groups in each monomer. The result is a dimeric axis of unusual length (ca 34 Å), but still shorter than what could be expected for a fully extended chain, owing to two turning points in the oligo-eth-oxy ends. This allows for an explanation of the structure of the smectic mesophase exhibited by this compound and at the same time fully validates former geometric estimations based on PM3 calculations. © 2009 International Union of Crystallography.
Fil:Cukiernik, F.D. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.
Fuente
Acta Crystallogr Sect C Cryst Struct Commun 2009;65(3):o81-o84
Materia
Carboxylic acids
Hydrogen
Organic acids
Carboxyl groups
Hydrogen bondings
Pm3 calculations
Smectic mesophase
Smectic phasis
Title compounds
Turning points
Crystal structure
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/2.5/ar
Repositorio
Biblioteca Digital (UBA-FCEN)
Institución
Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
OAI Identificador
paperaa:paper_01082701_v65_n3_po81_Montani
Acceder
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oai_identifier_str paperaa:paper_01082701_v65_n3_po81_Montani
network_acronym_str BDUBAFCEN
repository_id_str 1896
network_name_str Biblioteca Digital (UBA-FCEN)
spelling 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phasesMontani, R.S.Garay, R.O.Cukiernik, F.D.Garland, M.T.Baggio, R.Carboxylic acidsHydrogenOrganic acidsCarboxyl groupsHydrogen bondingsPm3 calculationsSmectic mesophaseSmectic phasisTitle compoundsTurning pointsCrystal structureThe crystal structure of the dimeric title compound, C19H 22O5H, is dominated by a head-to-head hydrogen-bonding inter-action between centrosymmetrically related carboxyl groups in each monomer. The result is a dimeric axis of unusual length (ca 34 Å), but still shorter than what could be expected for a fully extended chain, owing to two turning points in the oligo-eth-oxy ends. This allows for an explanation of the structure of the smectic mesophase exhibited by this compound and at the same time fully validates former geometric estimations based on PM3 calculations. © 2009 International Union of Crystallography.Fil:Cukiernik, F.D. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.2009info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfhttp://hdl.handle.net/20.500.12110/paper_01082701_v65_n3_po81_MontaniActa Crystallogr Sect C Cryst Struct Commun 2009;65(3):o81-o84reponame:Biblioteca Digital (UBA-FCEN)instname:Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturalesinstacron:UBA-FCENenginfo:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/2.5/ar2025-10-16T09:30:10Zpaperaa:paper_01082701_v65_n3_po81_MontaniInstitucionalhttps://digital.bl.fcen.uba.ar/Universidad públicaNo correspondehttps://digital.bl.fcen.uba.ar/cgi-bin/oaiserver.cgiana@bl.fcen.uba.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:18962025-10-16 09:30:11.568Biblioteca Digital (UBA-FCEN) - Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturalesfalse
dc.title.none.fl_str_mv 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases
title 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases
spellingShingle 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases
Montani, R.S.
Carboxylic acids
Hydrogen
Organic acids
Carboxyl groups
Hydrogen bondings
Pm3 calculations
Smectic mesophase
Smectic phasis
Title compounds
Turning points
Crystal structure
title_short 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases
title_full 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases
title_fullStr 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases
title_full_unstemmed 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases
title_sort 4'-[2-(2-Ethoxy-ethoxy)eth-oxy]-bi-phenyl-4-carboxylic acid: Correlation between its crystalline and smectic phases
dc.creator.none.fl_str_mv Montani, R.S.
Garay, R.O.
Cukiernik, F.D.
Garland, M.T.
Baggio, R.
author Montani, R.S.
author_facet Montani, R.S.
Garay, R.O.
Cukiernik, F.D.
Garland, M.T.
Baggio, R.
author_role author
author2 Garay, R.O.
Cukiernik, F.D.
Garland, M.T.
Baggio, R.
author2_role author
author
author
author
dc.subject.none.fl_str_mv Carboxylic acids
Hydrogen
Organic acids
Carboxyl groups
Hydrogen bondings
Pm3 calculations
Smectic mesophase
Smectic phasis
Title compounds
Turning points
Crystal structure
topic Carboxylic acids
Hydrogen
Organic acids
Carboxyl groups
Hydrogen bondings
Pm3 calculations
Smectic mesophase
Smectic phasis
Title compounds
Turning points
Crystal structure
dc.description.none.fl_txt_mv The crystal structure of the dimeric title compound, C19H 22O5H, is dominated by a head-to-head hydrogen-bonding inter-action between centrosymmetrically related carboxyl groups in each monomer. The result is a dimeric axis of unusual length (ca 34 Å), but still shorter than what could be expected for a fully extended chain, owing to two turning points in the oligo-eth-oxy ends. This allows for an explanation of the structure of the smectic mesophase exhibited by this compound and at the same time fully validates former geometric estimations based on PM3 calculations. © 2009 International Union of Crystallography.
Fil:Cukiernik, F.D. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.
description The crystal structure of the dimeric title compound, C19H 22O5H, is dominated by a head-to-head hydrogen-bonding inter-action between centrosymmetrically related carboxyl groups in each monomer. The result is a dimeric axis of unusual length (ca 34 Å), but still shorter than what could be expected for a fully extended chain, owing to two turning points in the oligo-eth-oxy ends. This allows for an explanation of the structure of the smectic mesophase exhibited by this compound and at the same time fully validates former geometric estimations based on PM3 calculations. © 2009 International Union of Crystallography.
publishDate 2009
dc.date.none.fl_str_mv 2009
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/20.500.12110/paper_01082701_v65_n3_po81_Montani
url http://hdl.handle.net/20.500.12110/paper_01082701_v65_n3_po81_Montani
dc.language.none.fl_str_mv eng
language eng
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/2.5/ar
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/2.5/ar
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv Acta Crystallogr Sect C Cryst Struct Commun 2009;65(3):o81-o84
reponame:Biblioteca Digital (UBA-FCEN)
instname:Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
instacron:UBA-FCEN
reponame_str Biblioteca Digital (UBA-FCEN)
collection Biblioteca Digital (UBA-FCEN)
instname_str Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
instacron_str UBA-FCEN
institution UBA-FCEN
repository.name.fl_str_mv Biblioteca Digital (UBA-FCEN) - Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
repository.mail.fl_str_mv ana@bl.fcen.uba.ar
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score 12.712165

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